2-phenyl-1-(2,4,6-trichlorophenyl)ethanone

C14H9Cl3O — CID 105349057

IUPAC2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
SMILESO=C(Cc1ccccc1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O/c15-10-7-11(16)14(12(17)8-10)13(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyNOJCUZYXMVXZRC-UHFFFAOYSA-N
MW299.58 g/mol
LogP5.07
Rot. Bonds3

About 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone

2-phenyl-1-(2,4,6-trichlorophenyl)ethanone (PubChem CID 105349057) has the molecular formula C14H9Cl3O and a molecular weight of 299.58 g/mol. Its IUPAC name is 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
PubChem CID105349057
Molecular FormulaC14H9Cl3O
Molecular Weight299.58 g/mol
Exact Mass297.97
IUPAC Name2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
SMILESO=C(Cc1ccccc1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O/c15-10-7-11(16)14(12(17)8-10)13(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyNOJCUZYXMVXZRC-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.58
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid
CID 151242683
2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 58138650
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone?
The IUPAC name of 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone (CID 105349057) is 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone.
What is the SMILES notation for 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone?
The canonical SMILES for 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone is O=C(Cc1ccccc1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone?
The InChIKey is NOJCUZYXMVXZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O/c15-10-7-11(16)14(12(17)8-10)13(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2.
What are the key properties of 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone?
2-phenyl-1-(2,4,6-trichlorophenyl)ethanone has a molecular weight of 299.58 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2,4,6-trichlorophenyl)ethanone is sourced from PubChem (CID 105349057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).